Task 38699971

Name test_351-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9046_0
Workunit 31640311
Created 6 Nov 2026, 10:58:24 UTC
Sent 6 Nov 2026, 10:58:30 UTC
Report deadline 11 Nov 2026, 10:58:30 UTC
Received 6 Nov 2026, 12:40:32 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652185
Run time 53 min 14 sec
CPU time 51 min 49 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.05 MB
Peak swap size 6.98 GB
Peak disk usage 3.94 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:47:25 (25824): wrapper (7.9.26016): starting
12:47:25 (25824): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
12:47:26 (25824): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:47:26 (25824): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
    (pos,vel) = job['openmm_worker'].get_posvel()
                ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
    state = self.context.getState(getPositions=True, getVelocities=True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 5022, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_UNKNOWN (999)
13:40:05 (25824): C:/Windows/system32/cmd.exe exited; CPU time 3109.859375
13:40:05 (25824): app exit status: 0x16
13:40:05 (25824): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 49241829 bytes.
Dumping objects ->
{3835231} normal block at 0x00000248AB43AA40, 48 bytes long.
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{3835220} normal block at 0x00000248AB43A570, 48 bytes long.
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{3835209} normal block at 0x00000248AB43A490, 48 bytes long.
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{3835198} normal block at 0x00000248AB43A7A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000248AB43AD50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x00000248AD0ACC30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x00000248AB46EAD0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835142} normal block at 0x00000248AB40ED30, 8 bytes long.
 Data: <  &#150;&#171;H   > 00 00 96 AB 48 02 00 00 
{3834545} normal block at 0x00000248AB46EEE0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000248AB40F140, 8 bytes long.
 Data: <`&#217;C&#171;H   > 60 D9 43 AB 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000248AB4131D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000248AB407D40, 80 bytes long.
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{297} normal block at 0x00000248AB4173B0, 16 bytes long.
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{296} normal block at 0x00000248AB417AE0, 16 bytes long.
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{295} normal block at 0x00000248AB410D20, 32 bytes long.
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{294} normal block at 0x00000248AB417360, 16 bytes long.
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{293} normal block at 0x00000248AB417EA0, 16 bytes long.
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{292} normal block at 0x00000248AB417310, 16 bytes long.
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{291} normal block at 0x00000248AB417A40, 16 bytes long.
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{290} normal block at 0x00000248AB415110, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000248AB417CC0, 16 bytes long.
 Data: <x @&#171;H           > 78 0E 40 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000248AB411200, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000248AB4177C0, 16 bytes long.
 Data: <P @&#171;H           > 50 0E 40 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000248AB417860, 16 bytes long.
 Data: <( @&#171;H           > 28 0E 40 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000248AB4172C0, 16 bytes long.
 Data: <  @&#171;H           > 00 0E 40 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000248AB417D60, 16 bytes long.
 Data: <&#216; @&#171;H           > D8 0D 40 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000248AB417E00, 16 bytes long.
 Data: <&#176; @&#171;H           > B0 0D 40 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000248AB417810, 16 bytes long.
 Data: <  @&#171;H           > 88 0D 40 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000248AB410D80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000248AB417A90, 16 bytes long.
 Data: <` @&#171;H           > 60 0D 40 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000248AB400D60, 320 bytes long.
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{277} normal block at 0x00000248AB4179A0, 16 bytes long.
 Data: <pmA&#171;H           > 70 6D 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000248AB4179F0, 16 bytes long.
 Data: <HmA&#171;H           > 48 6D 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000248AB410F00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000248AB417720, 16 bytes long.
 Data: < mA&#171;H           > 20 6D 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000248AB411020, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000248AB4171D0, 16 bytes long.
 Data: <hlA&#171;H           > 68 6C 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000248AB417950, 16 bytes long.
 Data: <@lA&#171;H           > 40 6C 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000248AB416FF0, 16 bytes long.
 Data: < lA&#171;H           > 18 6C 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000248AB417270, 16 bytes long.
 Data: <&#240;kA&#171;H           > F0 6B 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000248AB417900, 16 bytes long.
 Data: <&#200;kA&#171;H           > C8 6B 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000248AB40EFB0, 16 bytes long.
 Data: <&#160;kA&#171;H           > A0 6B 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000248AB40F730, 16 bytes long.
 Data: < QA&#171;H           > 80 51 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000248AB415180, 40 bytes long.
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{263} normal block at 0x00000248AB40EF60, 16 bytes long.
 Data: < kA&#171;H           > 80 6B 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000248AB40EEC0, 16 bytes long.
 Data: <XkA&#171;H           > 58 6B 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000248AB410CC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000248AB40F410, 16 bytes long.
 Data: <0kA&#171;H           > 30 6B 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000248AB416B30, 992 bytes long.
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{95} normal block at 0x00000248AB410960, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000248AB40F6E0, 16 bytes long.
 Data: <&#224;UA&#171;H           > E0 55 41 AB 48 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000248AB4155E0, 40 bytes long.
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{72} normal block at 0x00000248AB40F910, 16 bytes long.
 Data: < &#234;&#130;&#156;&#246;           > 80 EA 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000248AB40F320, 16 bytes long.
 Data: <@&#233;&#130;&#156;&#246;           > 40 E9 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000248AB40F550, 16 bytes long.
 Data: <&#248;W &#156;&#246;           > F8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000248AB40F5A0, 16 bytes long.
 Data: <&#216;W &#156;&#246;           > D8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000248AB40F4B0, 16 bytes long.
 Data: <P  &#156;&#246;           > 50 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000248AB40F500, 16 bytes long.
 Data: <0  &#156;&#246;           > 30 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000248AB40F5F0, 16 bytes long.
 Data: <&#224;  &#156;&#246;           > E0 02 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000248AB40F230, 16 bytes long.
 Data: <   &#156;&#246;           > 10 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000248AB40EBF0, 16 bytes long.
 Data: <p  &#156;&#246;           > 70 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000248AB40EB00, 16 bytes long.
 Data: < &#192;}&#156;&#246;           > 18 C0 7D 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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